data_28054 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ILVM methyl assignments for Pyrococcus furiosus Mre11 nuclease and capping domain ; _BMRB_accession_number 28054 _BMRB_flat_file_name bmr28054.str _Entry_type original _Submission_date 2019-12-16 _Accession_date 2019-12-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Beikzadeh Mahtab P. . 2 Kaur Navneet . . 3 Latham Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 134 "13C chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-24 update BMRB 'update entry citation' 2019-12-20 original author 'original release' stop_ _Original_release_date 2019-12-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Mutation of Conserved Mre11 Residues Alter Protein Dynamics to Separate Nuclease Functions ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32246962 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rahman Samiur . . 2 Beikzadeh Mahtab . . 3 Canny Marella D. . 4 Kaur Navneet . . 5 Latham Michael P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 432 _Journal_issue 10 _Journal_ISSN 1089-8638 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3289 _Page_last 3308 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mre11 nuclease and capping domains' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Mre11 ND' $Mre11_ND stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Mre11_ND _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mre11_ND _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function Endonuclease Exonuclease stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 333 _Mol_residue_sequence ; MKFAHLADIHLGYEQFHKPQ REEEFAEAFKNALEIAVQEN VDFILIAGDLFHSSRPSPGT LKKAIALLQIPKEHSIPVFA IEGNHDRTQRGPSVLNLLED FGLVYVIGMRKEKVENEYLT SERLGNGEYLVKGVYKDLEI HGMKYMSSAWFEANKEILKR LFRPTDNAILMLHQGVREVS EARGEDYFEIGLGDLPEGYL YYALGHIHKRYETSYSGSPV VYPGSLERWDFGDYEVRYEW DGIKFKERYGVNKGFYIVED FKPRFVEIKVRPFIDVKIKG SEEEIRKAIKRLIPLIPKNA YVRLNIGWRKPFDLTEIKEL LNVEYLKIDTWRI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 PHE 4 ALA 5 HIS 6 LEU 7 ALA 8 ASP 9 ILE 10 HIS 11 LEU 12 GLY 13 TYR 14 GLU 15 GLN 16 PHE 17 HIS 18 LYS 19 PRO 20 GLN 21 ARG 22 GLU 23 GLU 24 GLU 25 PHE 26 ALA 27 GLU 28 ALA 29 PHE 30 LYS 31 ASN 32 ALA 33 LEU 34 GLU 35 ILE 36 ALA 37 VAL 38 GLN 39 GLU 40 ASN 41 VAL 42 ASP 43 PHE 44 ILE 45 LEU 46 ILE 47 ALA 48 GLY 49 ASP 50 LEU 51 PHE 52 HIS 53 SER 54 SER 55 ARG 56 PRO 57 SER 58 PRO 59 GLY 60 THR 61 LEU 62 LYS 63 LYS 64 ALA 65 ILE 66 ALA 67 LEU 68 LEU 69 GLN 70 ILE 71 PRO 72 LYS 73 GLU 74 HIS 75 SER 76 ILE 77 PRO 78 VAL 79 PHE 80 ALA 81 ILE 82 GLU 83 GLY 84 ASN 85 HIS 86 ASP 87 ARG 88 THR 89 GLN 90 ARG 91 GLY 92 PRO 93 SER 94 VAL 95 LEU 96 ASN 97 LEU 98 LEU 99 GLU 100 ASP 101 PHE 102 GLY 103 LEU 104 VAL 105 TYR 106 VAL 107 ILE 108 GLY 109 MET 110 ARG 111 LYS 112 GLU 113 LYS 114 VAL 115 GLU 116 ASN 117 GLU 118 TYR 119 LEU 120 THR 121 SER 122 GLU 123 ARG 124 LEU 125 GLY 126 ASN 127 GLY 128 GLU 129 TYR 130 LEU 131 VAL 132 LYS 133 GLY 134 VAL 135 TYR 136 LYS 137 ASP 138 LEU 139 GLU 140 ILE 141 HIS 142 GLY 143 MET 144 LYS 145 TYR 146 MET 147 SER 148 SER 149 ALA 150 TRP 151 PHE 152 GLU 153 ALA 154 ASN 155 LYS 156 GLU 157 ILE 158 LEU 159 LYS 160 ARG 161 LEU 162 PHE 163 ARG 164 PRO 165 THR 166 ASP 167 ASN 168 ALA 169 ILE 170 LEU 171 MET 172 LEU 173 HIS 174 GLN 175 GLY 176 VAL 177 ARG 178 GLU 179 VAL 180 SER 181 GLU 182 ALA 183 ARG 184 GLY 185 GLU 186 ASP 187 TYR 188 PHE 189 GLU 190 ILE 191 GLY 192 LEU 193 GLY 194 ASP 195 LEU 196 PRO 197 GLU 198 GLY 199 TYR 200 LEU 201 TYR 202 TYR 203 ALA 204 LEU 205 GLY 206 HIS 207 ILE 208 HIS 209 LYS 210 ARG 211 TYR 212 GLU 213 THR 214 SER 215 TYR 216 SER 217 GLY 218 SER 219 PRO 220 VAL 221 VAL 222 TYR 223 PRO 224 GLY 225 SER 226 LEU 227 GLU 228 ARG 229 TRP 230 ASP 231 PHE 232 GLY 233 ASP 234 TYR 235 GLU 236 VAL 237 ARG 238 TYR 239 GLU 240 TRP 241 ASP 242 GLY 243 ILE 244 LYS 245 PHE 246 LYS 247 GLU 248 ARG 249 TYR 250 GLY 251 VAL 252 ASN 253 LYS 254 GLY 255 PHE 256 TYR 257 ILE 258 VAL 259 GLU 260 ASP 261 PHE 262 LYS 263 PRO 264 ARG 265 PHE 266 VAL 267 GLU 268 ILE 269 LYS 270 VAL 271 ARG 272 PRO 273 PHE 274 ILE 275 ASP 276 VAL 277 LYS 278 ILE 279 LYS 280 GLY 281 SER 282 GLU 283 GLU 284 GLU 285 ILE 286 ARG 287 LYS 288 ALA 289 ILE 290 LYS 291 ARG 292 LEU 293 ILE 294 PRO 295 LEU 296 ILE 297 PRO 298 LYS 299 ASN 300 ALA 301 TYR 302 VAL 303 ARG 304 LEU 305 ASN 306 ILE 307 GLY 308 TRP 309 ARG 310 LYS 311 PRO 312 PHE 313 ASP 314 LEU 315 THR 316 GLU 317 ILE 318 LYS 319 GLU 320 LEU 321 LEU 322 ASN 323 VAL 324 GLU 325 TYR 326 LEU 327 LYS 328 ILE 329 ASP 330 THR 331 TRP 332 ARG 333 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Mre11_ND 'Pyrococcus furiosus' 2261 Archaea . Pyrococcus furiosus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Mre11_ND 'recombinant technology' . Escherichia coli . 'pET 29' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mre11_ND 0.5 mM '[U-98% 2H; U-100% 12C; Iled1 13CH3; Leud 13CH3/12CD3; Valg 13CH3/12CD3; Mete 13CH3]' 'sodium sulfate' 300 mM 'natural abundance' HEPES 25 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2H_12C,_methyl-TROSY_HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2H 12C, methyl-TROSY HMQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 300 . mM pH 7.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 'methyl carbons' ppm 18.308 internal indirect . . . 0.25144953 water H 1 protons ppm 4.534 internal direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2H 12C, methyl-TROSY HMQC' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Mre11 ND' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HE H 2.124 0.000 1 2 1 1 MET CE C 17.253 0.000 1 3 6 6 LEU HD1 H 0.578 0.000 1 4 6 6 LEU HD2 H 0.659 0.000 1 5 6 6 LEU CD1 C 26.906 0.000 1 6 6 6 LEU CD2 C 26.763 0.000 1 7 9 9 ILE HD1 H 0.544 0.000 1 8 9 9 ILE CD1 C 11.956 0.000 1 9 11 11 LEU HD1 H 0.268 0.000 1 10 11 11 LEU HD2 H 0.681 0.000 1 11 11 11 LEU CD1 C 25.155 0.000 1 12 11 11 LEU CD2 C 22.107 0.000 1 13 33 33 LEU HD1 H 0.229 0.000 1 14 33 33 LEU HD2 H -0.115 0.000 1 15 33 33 LEU CD1 C 21.322 0.000 1 16 33 33 LEU CD2 C 25.736 0.000 1 17 35 35 ILE HD1 H 0.772 0.000 1 18 35 35 ILE CD1 C 13.662 0.000 1 19 37 37 VAL HG1 H 0.253 0.000 1 20 37 37 VAL HG2 H 0.660 0.000 1 21 37 37 VAL CG1 C 20.162 0.000 1 22 37 37 VAL CG2 C 22.113 0.000 1 23 41 41 VAL HG1 H 0.821 0.000 1 24 41 41 VAL HG2 H 0.616 0.000 1 25 41 41 VAL CG1 C 21.792 0.000 1 26 41 41 VAL CG2 C 18.549 0.000 1 27 44 44 ILE HD1 H 0.518 0.000 1 28 44 44 ILE CD1 C 13.649 0.000 1 29 45 45 LEU HD1 H 0.885 0.000 1 30 45 45 LEU HD2 H 0.605 0.000 1 31 45 45 LEU CD1 C 23.650 0.000 1 32 45 45 LEU CD2 C 26.838 0.000 1 33 46 46 ILE HD1 H 0.787 0.000 1 34 46 46 ILE CD1 C 13.982 0.000 1 35 50 50 LEU HD1 H 0.414 0.000 1 36 50 50 LEU HD2 H 0.221 0.000 1 37 50 50 LEU CD1 C 25.807 0.000 1 38 50 50 LEU CD2 C 24.150 0.000 1 39 61 61 LEU HD1 H 0.765 0.000 1 40 61 61 LEU HD2 H 0.776 0.000 1 41 61 61 LEU CD1 C 26.041 0.000 1 42 61 61 LEU CD2 C 24.296 0.000 1 43 65 65 ILE HD1 H 0.658 0.000 1 44 65 65 ILE CD1 C 13.911 0.000 1 45 67 67 LEU HD1 H 0.978 0.000 1 46 67 67 LEU HD2 H 0.761 0.000 1 47 67 67 LEU CD1 C 26.773 0.000 1 48 67 67 LEU CD2 C 23.123 0.000 1 49 68 68 LEU HD1 H 0.779 0.000 1 50 68 68 LEU HD2 H 0.893 0.000 1 51 68 68 LEU CD1 C 26.479 0.000 1 52 68 68 LEU CD2 C 22.221 0.000 1 53 70 70 ILE HD1 H 0.931 0.000 1 54 70 70 ILE CD1 C 13.855 0.000 1 55 76 76 ILE HD1 H 0.776 0.000 1 56 76 76 ILE CD1 C 14.926 0.000 1 57 78 78 VAL HG1 H 0.736 0.000 1 58 78 78 VAL HG2 H 0.836 0.000 1 59 78 78 VAL CG1 C 21.689 0.000 1 60 78 78 VAL CG2 C 20.981 0.000 1 61 81 81 ILE HD1 H 0.717 0.000 1 62 81 81 ILE CD1 C 14.803 0.000 1 63 95 95 LEU HD1 H 0.775 0.000 1 64 95 95 LEU HD2 H 0.817 0.000 1 65 95 95 LEU CD1 C 25.589 0.000 1 66 95 95 LEU CD2 C 22.997 0.000 1 67 97 97 LEU HD1 H 0.431 0.000 1 68 97 97 LEU HD2 H 0.617 0.000 1 69 97 97 LEU CD1 C 22.473 0.000 1 70 97 97 LEU CD2 C 21.577 0.000 1 71 98 98 LEU HD1 H 0.854 0.000 1 72 98 98 LEU HD2 H 0.769 0.000 1 73 98 98 LEU CD1 C 25.821 0.000 1 74 98 98 LEU CD2 C 22.552 0.000 1 75 103 103 LEU HD1 H 0.729 0.000 1 76 103 103 LEU HD2 H 1.017 0.000 1 77 103 103 LEU CD1 C 22.067 0.000 1 78 103 103 LEU CD2 C 27.601 0.000 1 79 104 104 VAL HG1 H 0.601 0.000 1 80 104 104 VAL HG2 H 0.527 0.000 1 81 104 104 VAL CG1 C 22.263 0.000 1 82 104 104 VAL CG2 C 21.387 0.000 1 83 106 106 VAL HG1 H 0.863 0.000 1 84 106 106 VAL HG2 H 0.545 0.000 1 85 106 106 VAL CG1 C 21.639 0.000 1 86 106 106 VAL CG2 C 23.786 0.000 1 87 107 107 ILE HD1 H 0.561 0.000 1 88 107 107 ILE CD1 C 13.664 0.000 1 89 109 109 MET HE H 2.045 0.000 1 90 109 109 MET CE C 17.844 0.000 1 91 114 114 VAL HG1 H 1.095 0.000 1 92 114 114 VAL HG2 H 1.049 0.000 1 93 114 114 VAL CG1 C 21.528 0.000 1 94 114 114 VAL CG2 C 23.595 0.000 1 95 119 119 LEU HD1 H 0.968 0.000 1 96 119 119 LEU HD2 H 1.054 0.000 1 97 119 119 LEU CD1 C 23.411 0.000 1 98 119 119 LEU CD2 C 27.332 0.000 1 99 124 124 LEU HD1 H 0.958 0.000 1 100 124 124 LEU HD2 H 0.754 0.000 1 101 124 124 LEU CD1 C 23.568 0.000 1 102 124 124 LEU CD2 C 25.901 0.000 1 103 130 130 LEU HD1 H 0.755 0.000 1 104 130 130 LEU HD2 H 0.730 0.000 1 105 130 130 LEU CD1 C 22.267 0.000 1 106 130 130 LEU CD2 C 25.763 0.000 1 107 131 131 VAL HG1 H 0.739 0.000 1 108 131 131 VAL HG2 H 0.800 0.000 1 109 131 131 VAL CG1 C 20.997 0.000 1 110 131 131 VAL CG2 C 21.780 0.000 1 111 134 134 VAL HG1 H 0.843 0.000 1 112 134 134 VAL HG2 H 0.552 0.000 1 113 134 134 VAL CG1 C 21.661 0.000 1 114 134 134 VAL CG2 C 21.659 0.000 1 115 138 138 LEU HD1 H 0.883 0.000 1 116 138 138 LEU HD2 H 0.782 0.000 1 117 138 138 LEU CD1 C 24.730 0.000 1 118 138 138 LEU CD2 C 27.247 0.000 1 119 140 140 ILE HD1 H -0.818 0.000 1 120 140 140 ILE CD1 C 13.597 0.000 1 121 143 143 MET HE H 2.065 0.000 1 122 143 143 MET CE C 18.946 0.000 1 123 146 146 MET HE H 0.709 0.000 1 124 146 146 MET CE C 15.600 0.000 1 125 157 157 ILE HD1 H 0.673 0.000 1 126 157 157 ILE CD1 C 13.610 0.000 1 127 158 158 LEU HD1 H 1.329 0.000 1 128 158 158 LEU HD2 H 0.969 0.000 1 129 158 158 LEU CD1 C 23.715 0.000 1 130 158 158 LEU CD2 C 26.493 0.000 1 131 161 161 LEU HD1 H 0.604 0.000 1 132 161 161 LEU HD2 H 0.710 0.000 1 133 161 161 LEU CD1 C 23.345 0.000 1 134 161 161 LEU CD2 C 25.667 0.000 1 135 169 169 ILE HD1 H 0.392 0.000 1 136 169 169 ILE CD1 C 15.549 0.000 1 137 170 170 LEU HD1 H 0.527 0.000 1 138 170 170 LEU HD2 H -0.230 0.000 1 139 170 170 LEU CD1 C 26.621 0.000 1 140 170 170 LEU CD2 C 22.237 0.000 1 141 171 171 MET HE H 1.756 0.000 1 142 171 171 MET CE C 15.140 0.000 1 143 172 172 LEU HD1 H 0.567 0.000 1 144 172 172 LEU HD2 H 0.933 0.000 1 145 172 172 LEU CD1 C 27.431 0.000 1 146 172 172 LEU CD2 C 23.643 0.000 1 147 176 176 VAL HG2 H 0.709 0.000 1 148 176 176 VAL CG2 C 21.520 0.000 1 149 179 179 VAL HG1 H 0.202 0.000 1 150 179 179 VAL CG1 C 20.784 0.000 1 151 190 190 ILE HD1 H 0.319 0.000 1 152 190 190 ILE CD1 C 13.021 0.000 1 153 192 192 LEU HD1 H 0.558 0.000 1 154 192 192 LEU HD2 H 0.413 0.000 1 155 192 192 LEU CD1 C 23.990 0.000 1 156 192 192 LEU CD2 C 26.107 0.000 1 157 195 195 LEU HD1 H 0.432 0.000 1 158 195 195 LEU HD2 H 0.068 0.000 1 159 195 195 LEU CD1 C 23.365 0.000 1 160 195 195 LEU CD2 C 24.566 0.000 1 161 200 200 LEU HD1 H 0.451 0.000 1 162 200 200 LEU HD2 H 0.577 0.000 1 163 200 200 LEU CD1 C 26.089 0.000 1 164 200 200 LEU CD2 C 21.653 0.000 1 165 204 204 LEU HD1 H 0.682 0.000 1 166 204 204 LEU HD2 H 0.536 0.000 1 167 204 204 LEU CD1 C 25.077 0.000 1 168 204 204 LEU CD2 C 24.312 0.000 1 169 207 207 ILE HD1 H 0.286 0.000 1 170 207 207 ILE CD1 C 11.838 0.000 1 171 220 220 VAL HG1 H 0.582 0.000 1 172 220 220 VAL HG2 H 0.436 0.000 1 173 220 220 VAL CG1 C 21.325 0.000 1 174 220 220 VAL CG2 C 20.263 0.000 1 175 221 221 VAL HG1 H -0.005 0.000 1 176 221 221 VAL HG2 H 0.532 0.000 1 177 221 221 VAL CG1 C 22.017 0.000 1 178 221 221 VAL CG2 C 21.590 0.000 1 179 226 226 LEU HD1 H 0.933 0.000 1 180 226 226 LEU HD2 H 0.840 0.000 1 181 226 226 LEU CD1 C 26.358 0.000 1 182 226 226 LEU CD2 C 23.987 0.000 1 183 236 236 VAL HG1 H 0.447 0.000 1 184 236 236 VAL HG2 H 0.474 0.000 1 185 236 236 VAL CG1 C 20.892 0.000 1 186 236 236 VAL CG2 C 20.102 0.000 1 187 243 243 ILE HD1 H 0.604 0.000 1 188 243 243 ILE CD1 C 13.585 0.000 1 189 251 251 VAL HG1 H 0.919 0.000 1 190 251 251 VAL HG2 H 1.011 0.000 1 191 251 251 VAL CG1 C 20.739 0.000 1 192 251 251 VAL CG2 C 21.709 0.000 1 193 257 257 ILE HD1 H 0.564 0.000 1 194 257 257 ILE CD1 C 11.841 0.000 1 195 258 258 VAL HG1 H -0.191 0.000 1 196 258 258 VAL HG2 H 0.243 0.000 1 197 258 258 VAL CG1 C 22.158 0.000 1 198 258 258 VAL CG2 C 20.964 0.000 1 199 266 266 VAL HG1 H 0.187 0.000 1 200 266 266 VAL HG2 H 0.423 0.000 1 201 266 266 VAL CG1 C 19.958 0.000 1 202 266 266 VAL CG2 C 21.358 0.000 1 203 268 268 ILE HD1 H 0.830 0.000 1 204 268 268 ILE CD1 C 13.242 0.000 1 205 270 270 VAL HG1 H 0.681 0.000 1 206 270 270 VAL HG2 H 0.752 0.000 1 207 270 270 VAL CG1 C 18.224 0.000 1 208 270 270 VAL CG2 C 21.912 0.000 1 209 274 274 ILE HD1 H 1.020 0.000 1 210 274 274 ILE CD1 C 12.794 0.000 1 211 276 276 VAL HG1 H 0.767 0.000 1 212 276 276 VAL HG2 H 0.814 0.000 1 213 276 276 VAL CG1 C 20.488 0.000 1 214 276 276 VAL CG2 C 21.651 0.000 1 215 278 278 ILE HD1 H 0.492 0.000 1 216 278 278 ILE CD1 C 15.218 0.000 1 217 285 285 ILE HD1 H 0.920 0.000 1 218 285 285 ILE CD1 C 14.591 0.000 1 219 289 289 ILE HD1 H 0.564 0.000 1 220 289 289 ILE CD1 C 11.663 0.000 1 221 292 292 LEU HD1 H 0.194 0.000 1 222 292 292 LEU HD2 H -0.178 0.000 1 223 292 292 LEU CD1 C 25.590 0.000 1 224 292 292 LEU CD2 C 22.135 0.000 1 225 293 293 ILE HD1 H 0.799 0.000 1 226 293 293 ILE CD1 C 13.564 0.000 1 227 295 295 LEU HD1 H 0.760 0.000 1 228 295 295 LEU HD2 H 0.594 0.000 1 229 295 295 LEU CD1 C 22.113 0.000 1 230 295 295 LEU CD2 C 24.852 0.000 1 231 296 296 ILE HD1 H 0.531 0.000 1 232 296 296 ILE CD1 C 11.600 0.000 1 233 302 302 VAL HG1 H 0.576 0.000 1 234 302 302 VAL HG2 H 0.858 0.000 1 235 302 302 VAL CG1 C 21.092 0.000 1 236 302 302 VAL CG2 C 23.643 0.000 1 237 304 304 LEU HD1 H 0.534 0.000 1 238 304 304 LEU HD2 H 0.481 0.000 1 239 304 304 LEU CD1 C 24.814 0.000 1 240 304 304 LEU CD2 C 24.233 0.000 1 241 306 306 ILE HD1 H 0.434 0.000 1 242 306 306 ILE CD1 C 12.888 0.000 1 243 314 314 LEU HD1 H 0.551 0.000 1 244 314 314 LEU HD2 H 0.580 0.000 1 245 314 314 LEU CD1 C 21.646 0.000 1 246 314 314 LEU CD2 C 23.523 0.000 1 247 317 317 ILE HD1 H 0.835 0.000 1 248 317 317 ILE CD1 C 12.897 0.000 1 249 320 320 LEU HD1 H 0.755 0.000 1 250 320 320 LEU HD2 H 0.788 0.000 1 251 320 320 LEU CD1 C 25.242 0.000 1 252 320 320 LEU CD2 C 22.912 0.000 1 253 321 321 LEU HD1 H 0.659 0.000 1 254 321 321 LEU HD2 H 0.630 0.000 1 255 321 321 LEU CD1 C 26.000 0.000 1 256 321 321 LEU CD2 C 24.492 0.000 1 257 323 323 VAL HG1 H 0.543 0.000 1 258 323 323 VAL HG2 H 0.773 0.000 1 259 323 323 VAL CG1 C 19.007 0.000 1 260 323 323 VAL CG2 C 22.726 0.000 1 261 326 326 LEU HD1 H 0.727 0.000 1 262 326 326 LEU HD2 H 0.524 0.000 1 263 326 326 LEU CD1 C 26.847 0.000 1 264 326 326 LEU CD2 C 23.765 0.000 1 265 328 328 ILE HD1 H 0.640 0.000 1 266 328 328 ILE CD1 C 13.619 0.000 1 267 333 333 ILE HD1 H 0.702 0.000 1 268 333 333 ILE CD1 C 12.641 0.000 1 stop_ save_